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RESEARCH PAPER · Corrosion Communications · 2021

Integrated computation of corrosion: Modelling, simulation and applications

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Integrated computation of corrosion: Modelling, simulation and applicationsOriginalReview of micro-scale and atomic-scale corrosion mechanisms of second phases in aluminum alloys114Dissociative Adsorption of H2S on Li(110) Surface Using Density Functional Theory Calculations and Car‐Parrinello Molecular Dynamics Simulations6Dynamic pitting processes of 316 stainless steel in NaCl + Na2CO3 solution with digital holography19A Critical Analysis on the Current Design Criteria for Cathodic Protection of Ships and Superyachts7Effects of hydrogen on the crevice corrosion behaviors of duplex stainless steel 220519Introductory Chapter: Corrosion7Hydrogen embrittlement behavior in interstitial Mn–N austenitic stainless steel59Physics-based surrogate model for reinforced concrete corrosion simulation23Integral effects of Ca and Sb on the corrosion resistance for the high strength low alloy steel in the tropical marine environment66Random forest incorporating ab-initio calculations for corrosion rate prediction with small sample Al alloys data44MEPTIC and machine learning approaches of corrosion inhibition2Monte Carlo simulation-based molecular modeling0Theories and radial distribution function of MD and MC simulations1Evolution of corrosion prediction models for oil and gas pipelines: From empirical-driven to data-driven98Sandwich-like functional design of C/(Ti:C)/Ti modified Ti bipolar plates for proton exchange membrane fuel cells40Corrosion property of Al alloys subjected to surface severe plastic deformation: a review8Stress Corrosion Cracking of Copper–Nickel Alloys: A Review14Molecular dynamics simulation of the Ni – FLiNaK interface: adsorption layers as origin of metal passivity2Corrosion mechanism and corrosion behavior prediction of Cu-10Ni-X alloys in NaCl solution combining DFT calculation and experiments63Influence of AC/DC on stress corrosion cracking of Ti-6Al-3Nb-2Zr-1Mo alloy in simulated marine solution29Combined Dual-Exposure Test and Dft Investigations into Effects of Interstitial Hydrogen on Oxide Film of Alloy 600 in High Temperature Water16Review of Prediction of Stress Corrosion Cracking in Gas Pipelines Using Machine Learning61Underlying mechanism for the effects of composition and microstructure on the corrosion resistance of Al-based amorphous alloys: a review24Effects of retained austenite stability on the electrochemical activity and stress corrosion cracking of ultrafine bainite steel in a marine environment19Numerical simulation study of erosion failure and corrosion behavior of elbow0First-principles analysis of the stability and hydrogen adsorption properties of the α-Ti/α2-Ti3Al interface towards clarified hydrogen embrittlement mechanism of titanium alloys17First-principles modeling of corrosion current for passive magnesium alloys and its application in Mg-RE alloy14Advancements in Corrosion Prevention Techniques56Multi-scale computational study of high-temperature corrosion and the design of corrosion-resistant alloys33Effect of Mo and Sn co-regulation on low alloy steel corrosion in tropical marine atmosphere14A review and outlook of airframe digital twins for structural prognostics and health management in the aviation industry31Corrosion-life prediction model for 316L stainless steel under electronic special gases containing trace moisture employed in semiconductor manufacturing industry14Theoretical and experimental exploration of organic molecules adsorption on iron surfaces for corrosion inhibition: a review46Prediction and evaluation of pyrimidinones derivatives: DFT analysis, corrosion inhibition, and bioactivity studies7Applications of density functional theory to corrosion and corrosion prevention of metals: A review49Adsorption at the Ni and Ti Interface in a LiCl–KCl Melt: Molecular Dynamics Simulation0Recent advances in understanding iron/steel corrosion: Mechanistic insights from molecular simulations30Numerical simulation of corrosion in flanges under consideration of corrosion products and their porosity5Corrosion modeling of Magnesium and its alloys: A short review7First-principles investigation of alloying element effects on mechanical properties and corrosion susceptibility of advanced high-strength steels1A Quantum Computational Method for Corrosion Inhibition3Mechanistic insights into early stages of iron corrosion under electrochemical conditions: A DFT study9Complete Construction and Research of CO2 Corrosion Prediction Model for a Gas Field Wellbore3Corrosion-induced multiscale damage behavior of ultrahigh strength steel: An integrated simulation and experiment study2Effects of hydrogen charging on the corrosion behavior and hydrogen embrittlement of 7xxx Al Alloys: An integrated experimental and multiscale simulation study18Predicting stress corrosion cracking in downhole environments: a Bayesian network approach for duplex stainless steels1Correlation mechanism between corrosion product film evolution and corrosion resistance for 70/30 Cu-Ni alloy combining DFT calculation and experiments8A review of recent developments on the localized corrosion of mild steel used in the oil and gas industry8Nanoscale Characterization of Nanomaterial-Based Systems: Mechanisms, Experimental Methods, and Challenges in Probing Corrosion, Mechanical, and Tribological Properties17Environmentally Assisted Degradation of Metals and Alloys3Effect of Al content on the passive film stability and corrosion resistance of light refractory high entropy alloy0Study on Pitting Corrosion Simulation of Steel Plates Based on Cellular Automaton-Finite Element Coupling1Corrosion Prediction Approach Combining FEM‐Simulations and AI‐Modules for Complex Automotive Geometries0An integrated experimental and numerical simulation approach for crevice corrosion in aluminum alloy (AA1050) with geometric variations based on IR-drop theory0Effect of calcium addition on inclusion refinement, passive film chemistry and pitting corrosion resistance of S30403 austenitic stainless steel5Multi-scale corrosion degradation of aluminum alloys in marine environment studied by computational, experimental, and artificial intelligence-assisted approaches11Interpretable machine learning driven design of oxidation resistant Co-based superalloys with low density0Effects of β‐Stabilizing Elements on the Corrosion Resistance of Ti‐6.5Al Alloys in Hydrochloric Acid: DFT Calculations and Experimental Validation0

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  2. Dissociative Adsorption of H2S on Li(110) Surface Using Density Functional Theory Calculations and Car‐Parrinello Molecular Dynamics Simulations

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  9. Integral effects of Ca and Sb on the corrosion resistance for the high strength low alloy steel in the tropical marine environment

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  16. Corrosion property of Al alloys subjected to surface severe plastic deformation: a review

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  17. Stress Corrosion Cracking of Copper–Nickel Alloys: A Review

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  19. Corrosion mechanism and corrosion behavior prediction of Cu-10Ni-X alloys in NaCl solution combining DFT calculation and experiments

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  20. Influence of AC/DC on stress corrosion cracking of Ti-6Al-3Nb-2Zr-1Mo alloy in simulated marine solution

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